2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(4-methyl-3-nitrophenyl)acetamide

C23H22FN3O3 — CID 16962341

IUPAC2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(4-methyl-3-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(c2ccccc2)c2ccc(F)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C23H22FN3O3/c1-16-8-13-20(14-21(16)27(29)30)25-22(28)15-26(2)23(17-6-4-3-5-7-17)18-9-11-19(24)12-10-18/h3-14,23H,15H2,1-2H3,(H,25,28)
InChIKeyVTIZMOQUZFZMNU-UHFFFAOYSA-N
MW407.45 g/mol
LogP4.70
Rot. Bonds7

About 2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(4-methyl-3-nitrophenyl)acetamide

2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(4-methyl-3-nitrophenyl)acetamide (PubChem CID 16962341) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is 2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(4-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(4-methyl-3-nitrophenyl)acetamide
PubChem CID16962341
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC Name2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(4-methyl-3-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(c2ccccc2)c2ccc(F)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C23H22FN3O3/c1-16-8-13-20(14-21(16)27(29)30)25-22(28)15-26(2)23(17-6-4-3-5-7-17)18-9-11-19(24)12-10-18/h3-14,23H,15H2,1-2H3,(H,25,28)
InChIKeyVTIZMOQUZFZMNU-UHFFFAOYSA-N
XLogP4.70
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(4-methyl-3-nitrophenyl)acetamide
CID 46594715
N-(2,6-dichloro-3-methylphenyl)-2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide
CID 26249409
N-(4-bromo-2-methylphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide
CID 16609224
2-[benzhydryl(methyl)amino]-N-phenylacetamide
CID 8730173
N-(4-methyl-3-nitrophenyl)-2-phenylsulfanylacetamide
CID 2206801
2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(2,4,6-trichlorophenyl)acetamide
CID 16609246
ethane;N-(4-methyl-3-nitrophenyl)-2,2-diphenylacetamide
CID 143201282
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-methyl-3-nitrobenzoate
CID 46794981
4-methyl-N-(4-methyl-3-nitrophenyl)pentanamide
CID 39753327
N-[1-(4-fluorophenyl)ethyl]-4-methyl-3-nitroaniline
CID 43425323
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-nitrobenzamide
CID 18112696
2-(4-fluoro-N-methyl-2-nitroanilino)-N-(4-fluorophenyl)acetamide
CID 9183880

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(4-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(4-methyl-3-nitrophenyl)acetamide (CID 16962341) is 2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(4-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(4-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(4-methyl-3-nitrophenyl)acetamide is Cc1ccc(NC(=O)CN(C)C(c2ccccc2)c2ccc(F)cc2)cc1[N+](=O)[O-].
What is the InChIKey of 2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(4-methyl-3-nitrophenyl)acetamide?
The InChIKey is VTIZMOQUZFZMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c1-16-8-13-20(14-21(16)27(29)30)25-22(28)15-26(2)23(17-6-4-3-5-7-17)18-9-11-19(24)12-10-18/h3-14,23H,15H2,1-2H3,(H,25,28).
What are the key properties of 2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(4-methyl-3-nitrophenyl)acetamide?
2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(4-methyl-3-nitrophenyl)acetamide has a molecular weight of 407.45 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(4-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 16962341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).